IR-58

CAT: 0013-GTR19319208-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19319208-01Size:10 mg

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Description

IR-58 is a mitochondria-targeting near-infrared fluorophore that acts as an autophagy enhancer. It induces tumor cell death via apoptosis by promoting excessive autophagy through the ROS-Akt-mTOR pathway, making it a useful tool for studying autophagy mechanisms in cancer research both in vitro and in vivo.

CAS Number

2374274-85-6

Field of Research

Cell Biology

Molecular Weight

1046.65

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-((E)-2-((E)-2-Chloro-3-(2-((E)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium Bromide

CAS Number	2374274-85-6
PubChem CID	171378649
IUPAC Name	methyl 2-[11-[2-[2-[2-chloro-3-[2-[1-[11-[(2-methoxy-2-oxoethyl)amino]-11-oxoundecyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]undecanoylamino]acetate bromide
Molecular Formula	C58H82BrClN4O6
Molecular Weight	1046.6
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	31
Heavy Atom Count	70
Formal Charge	0
Complexity	1720

SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCCCCCCC(=O)NCC(=O)OC)(C)C)CCC3)Cl)CCCCCCCCCCC(=O)NCC(=O)OC)C.[Br-]

InChI

InChI=1S/C58H81ClN4O6.BrH/c1-57(2)46-30-21-23-32-48(46)62(40-25-17-13-9-7-11-15-19-34-52(64)60-42-54(66)68-5)50(57)38-36-44-28-27-29-45(56(44)59)37-39-51-58(3,4)47-31-22-24-33-49(47)63(51)41-26-18-14-10-8-12-16-20-35-53(65)61-43-55(67)69-6;/h21-24,30-33,36-39H,7-20,25-29,34-35,40-43H2,1-6H3,(H-,60,61,64,65);1H

InChIKey

BMRWNJCATBASDR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2374274-85-6

CID: 171378649

Formula: C58H82BrClN4O6

MW: 1046.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1046.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	31
Exact Mass	1044.51063
Monoisotopic Mass	1044.51063
Topological Polar Surface Area	117 Å²
Heavy Atom Count	70
Formal Charge	0
Complexity	1720
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	3
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Chemical Information

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